2-Chloro-6-fluoroquinazoline - CAS 113082-27-2

Catalog:	BB003095
Product Name:	2-Chloro-6-fluoroquinazoline
CAS:	113082-27-2
Synonyms:	2-chloro-6-fluoroquinazoline; 2-chloro-6-fluoroquinazoline

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-6-fluoroquinazoline
Description:	2-Chloro-6-fluoroquinazoline (CAS# 113082-27-2) is a useful research chemical.
Molecular Weight:	182.58
Molecular Formula:	C8H4ClFN2
Canonical SMILES:	C1=CC2=NC(=NC=C2C=C1F)Cl
InChI:	InChI=1S/C8H4ClFN2/c9-8-11-4-5-3-6(10)1-2-7(5)12-8/h1-4H
InChI Key:	XYJZACFROUOTDS-UHFFFAOYSA-N
Boiling Point:	184 °C at 760 mmHg
Density:	1.447 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	2.42230

Publication Number	Title	Priority Date
WO-2021011796-A1	Inhibitors of cyclin-dependent kinases	20190717
WO-2020018848-A1	Methods of culturing and/or expanding stem cells and/or lineage committed progenitor cells using amido compounds	20180719
WO-2019213403-A1	Inhibitors of cyclin-dependent kinases	20180502
EP-3787629-A1	Inhibitors of cyclin-dependent kinases	20180502
US-2021053969-A1	Inhibitors of cyclin-dependent kinases	20180502

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Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.004704
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.004704
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6